2-(3,4-difluorophenyl)-N-[3-(3-morpholin-4-ylpropoxy)phenyl]acetamide

C21H24F2N2O3 — CID 25014614

IUPAC2-(3,4-difluorophenyl)-N-[3-(3-morpholin-4-ylpropoxy)phenyl]acetamide
SMILESO=C(Cc1ccc(F)c(F)c1)Nc1cccc(OCCCN2CCOCC2)c1
InChIInChI=1S/C21H24F2N2O3/c22-19-6-5-16(13-20(19)23)14-21(26)24-17-3-1-4-18(15-17)28-10-2-7-25-8-11-27-12-9-25/h1,3-6,13,15H,2,7-12,14H2,(H,24,26)
InChIKeyMZFDSZMNKUJMAC-UHFFFAOYSA-N
MW390.43 g/mol
LogP3.25
Rot. Bonds8

About 2-(3,4-difluorophenyl)-N-[3-(3-morpholin-4-ylpropoxy)phenyl]acetamide

2-(3,4-difluorophenyl)-N-[3-(3-morpholin-4-ylpropoxy)phenyl]acetamide (PubChem CID 25014614) has the molecular formula C21H24F2N2O3 and a molecular weight of 390.43 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-N-[3-(3-morpholin-4-ylpropoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-N-[3-(3-morpholin-4-ylpropoxy)phenyl]acetamide
PubChem CID25014614
Molecular FormulaC21H24F2N2O3
Molecular Weight390.43 g/mol
Exact Mass390.18
IUPAC Name2-(3,4-difluorophenyl)-N-[3-(3-morpholin-4-ylpropoxy)phenyl]acetamide
SMILESO=C(Cc1ccc(F)c(F)c1)Nc1cccc(OCCCN2CCOCC2)c1
InChIInChI=1S/C21H24F2N2O3/c22-19-6-5-16(13-20(19)23)14-21(26)24-17-3-1-4-18(15-17)28-10-2-7-25-8-11-27-12-9-25/h1,3-6,13,15H,2,7-12,14H2,(H,24,26)
InChIKeyMZFDSZMNKUJMAC-UHFFFAOYSA-N
XLogP3.25
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.43
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)-N-[3-(3-morpholin-4-ylpropoxy)phenyl]acetamide?
The IUPAC name of 2-(3,4-difluorophenyl)-N-[3-(3-morpholin-4-ylpropoxy)phenyl]acetamide (CID 25014614) is 2-(3,4-difluorophenyl)-N-[3-(3-morpholin-4-ylpropoxy)phenyl]acetamide.
What is the SMILES notation for 2-(3,4-difluorophenyl)-N-[3-(3-morpholin-4-ylpropoxy)phenyl]acetamide?
The canonical SMILES for 2-(3,4-difluorophenyl)-N-[3-(3-morpholin-4-ylpropoxy)phenyl]acetamide is O=C(Cc1ccc(F)c(F)c1)Nc1cccc(OCCCN2CCOCC2)c1.
What is the InChIKey of 2-(3,4-difluorophenyl)-N-[3-(3-morpholin-4-ylpropoxy)phenyl]acetamide?
The InChIKey is MZFDSZMNKUJMAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F2N2O3/c22-19-6-5-16(13-20(19)23)14-21(26)24-17-3-1-4-18(15-17)28-10-2-7-25-8-11-27-12-9-25/h1,3-6,13,15H,2,7-12,14H2,(H,24,26).
What are the key properties of 2-(3,4-difluorophenyl)-N-[3-(3-morpholin-4-ylpropoxy)phenyl]acetamide?
2-(3,4-difluorophenyl)-N-[3-(3-morpholin-4-ylpropoxy)phenyl]acetamide has a molecular weight of 390.43 g/mol, XLogP of 3.25, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)-N-[3-(3-morpholin-4-ylpropoxy)phenyl]acetamide is sourced from PubChem (CID 25014614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).